SCHEMBL10344696

SCHEMBL10344696

O=C(Nc1ccccc1)Nc1ccnc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
AR P10275 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 1/20 0.57
EPHX1 P07099 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
KDR P35968 1/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
PIM1 P11309 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
FLT3 P36888 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29555820 0.84 KMT2A (0.68) SMN1; SMN2TP53TSHRKDRNPC1
SCHEMBL29555620 0.83 AR (0.49) ARKDRNPC1KMT2AMEN1
SCHEMBL2596857 0.82 AR (0.57) ARSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL24150224 0.82 JAK2 (0.60) ARSMN1; SMN2TP53NPC1RAB9A
SCHEMBL11366678 0.81 TAAR1 (0.62) TAAR1SMN1; SMN2TP53EPHX1TSHR
SCHEMBL29556614 0.81 ALDH1A1 (0.71) SMN1; SMN2TP53TSHRNPC1RAB9A
SCHEMBL11344781 0.81 SMN1; SMN2 (0.63) TAAR1SMN1; SMN2TP53EPHX1TSHR
SCHEMBL29556948 0.81 NPC1 (0.47) TAAR1ARSMN1; SMN2TP53KDR
SCHEMBL29556113 0.81 P2RY1 (0.55) ARNPC1RAB9AKMT2AMEN1
SCHEMBL119685 0.80 SMARCA2 (0.79) TAAR1SMN1; SMN2TP53EPHX1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010770-B1 4-PYRIDYL UREAS OR THIOUREAS SUBSTITUTED IN POSITION 2, PROCESS FOR THEIR PREPARATION AND PLANT GROWTH REGULANTS CONTAINING THEM Shudo, Koichi, Prof. Dr. (JP) 1982-07-07 EP claimed
US-4279639-A N-(2-Substituted-4-pyridyl)ureas and thioureas as well as plant growth regulators containing same, and method for using compounds as plant growth regulators Okamoto, Toshihiko (JP) 1981-07-21 US claimed
WO-2013016198-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR MICROPROPAGATION OF PLANTS BOOSHOOT LLC (US) 2013-01-31 WO disclosed
WO-2012097380-A1 COMPOSITIONS AND METHODS FOR BAMBOO PULPING The Red Triangle, LLC (US) 2012-07-19 WO disclosed
US-4279639-A N-(2-Substituted-4-pyridyl)ureas and thioureas as well as plant growth regulators containing same, and method for using compounds as plant growth regulators Okamoto, Toshihiko (JP) 1981-07-21 US disclosed