SCHEMBL11250302

SCHEMBL11250302

O=C(Nc1ccc(Cl)cc1)N(Cl)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
NPC1 O15118 5/20 0.57
MAPT P10636 5/20 0.57
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PKM P14618 1/20 0.54
HTT P42858 6/20 0.47
LMNA P02545 3/20 0.47
NLRP3 Q96P20 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
EPHX1 P07099 2/20 0.44
NLRP1 Q9C000 1/20 0.44
GAA P10253 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL10613167 0.81 NPC1 (0.83) TSHRNPC1MAPTRAB9AALDH1A1
SCHEMBL19707225 0.79 TSHR (0.59) TSHRNPC1MAPTRAB9AALDH1A1
SCHEMBL19707227 0.79 TSHR (0.70) TSHRNPC1MAPTRAB9AALDH1A1
SCHEMBL4359332 0.78 MEN1 (0.56) TSHRNPC1MAPTRAB9AALDH1A1
Monuron SCHEMBL8539289 0.76 TSHR (1.00) TSHRNPC1RAB9AALDH1A1PKM
Monuron SCHEMBL106717 0.76 TSHR (1.00) TSHRNPC1RAB9AALDH1A1PKM
Monuron SCHEMBL9370512 0.76 TSHR (1.00) TSHRNPC1RAB9AALDH1A1PKM
SCHEMBL10434328 0.75 TSHR (0.54) TSHRNPC1MAPTRAB9AALDH1A1
SCHEMBL11860609 0.74 TSHR (0.75) TSHRNPC1MAPTRAB9AALDH1A1
SCHEMBL9871496 0.74 RAB9A (0.63) TSHRNPC1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4357476-A Nonylamines CIBA GEIGY CORPORATION, N.Y. (US) 1982-11-02 US disclosed
US-4336270-A BACTERICIDES, FUNGICIDES CIBA-GEIGY CORPORATION (US) 1982-06-22 US disclosed
US-4160833-A ANIMAL FEED ADDITIVE AND MICROBIOCIDE CIBA-GEIGY CORPORATION (US) 1979-07-10 US disclosed
US-4139560-A Nonylamines CIBA GEIGY CORPORATION (US) 1979-02-13 US disclosed
US-3991124-A FOR CONTROLLING MICROORGANISMS AND HELMINTHS CIBA-GEIGY CORPORATION (US) 1976-11-09 US disclosed
US-3956402-A MICROBIOCIDES CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed