SCHEMBL9216384

SCHEMBL9216384

CC(=O)N1CCC(SC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
USP2 O75604 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.41
POLB P06746 1/20 0.41
CREBBP Q92793 1/20 0.41
NOTUM Q6P988 1/20 0.41
RIPK1 Q13546 2/20 0.40
CHRM3 P20309 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.40
MAPK1 P28482 1/20 0.39
QDPR P09417 1/20 0.39

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
SCHEMBL7976436 0.82 TSHR (0.58) KMT2AALDH1A1TSHRKDM4EBRD4
SCHEMBL7965918 0.79 CHRM2 (0.51) CYP2D6KDM4ECHRM3MAPK1
Hydrochloric Acid SCHEMBL9353083 0.78 LMNA (0.41) KMT2AALDH1A1CYP2D6KDM4ETDP1
Hydrochloric Acid SCHEMBL9356760 0.78 MAPK1 (0.53) KMT2ACYP2D6CYP2C19TSHRKDM4E
SCHEMBL25057228 0.76 KMT2A (0.57) KMT2AALDH1A1CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL9353101 0.75 HSP90AA1 (0.39) CYP3A4KDM4E
Hydrochloric Acid SCHEMBL9353077 0.74 KDM1A (0.46) KMT2AALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL2793009 0.74 KMT2A (0.54) KMT2AALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1117729 0.73 GAA (0.41) KMT2AALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL27283741 0.72 KMT2A (0.51) KMT2AALDH1A1CYP3A4CYP2D6CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 US disclosed
EP-0492178-A2 Naphthoic acid derivative FUJIREBIO INC. (JP) 1992-07-01 EP disclosed