SCHEMBL11841385

SCHEMBL11841385

NCCCn1nc(-c2ccccc2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ TSHR P16473 1/20 0.68
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CAMK2D Q13557 3/20 0.51
▸ MERTK Q12866 3/20 0.49
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ KISS1R Q969F8 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RORC P51449 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ SCN8A Q9UQD0 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ F2RL3 Q96RI0 1/20 0.41

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
Hydrochloric Acid SCHEMBL8138785 0.84 HSD17B10 (0.50) HSD17B10KDM4ETSHRKMT2AALDH1A1
SCHEMBL11845306 0.83 KDM4E (0.49) HSD17B10KDM4ETSHRKMT2AALDH1A1
SCHEMBL11832928 0.83 MAPT (0.57) HSD17B10KDM4ETSHRKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11837552 0.82 MAPT (0.56) HSD17B10KDM4ETSHRKMT2AALDH1A1
SCHEMBL11834589 0.81 KDM4E (0.63) HSD17B10KDM4ETSHRKMT2AALDH1A1
SCHEMBL11832822 0.81 KDM4E (0.63) HSD17B10KDM4ETSHRKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11833093 0.80 KDM4E (0.61) HSD17B10KDM4ETSHRKMT2AALDH1A1
SCHEMBL27496805 0.79 HSD17B10 (0.61) HSD17B10KDM4ETSHRKMT2AALDH1A1
SCHEMBL11846475 0.79 HSD17B10 (0.60) HSD17B10KDM4ETSHRKMT2AALDH1A1
SCHEMBL11841873 0.77 HSD17B10 (0.62) HSD17B10KDM4ETSHRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US claimed
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US disclosed
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