SCHEMBL30839740

SCHEMBL30839740

Cc1cc(-c2cccc(C)c2N)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.59
TDP1 Q9NUW8 5/20 0.59
ALDH1A1 P00352 4/20 0.59
TSHR P16473 3/20 0.59
CD44 P16070 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
TP53 P04637 3/20 0.39
MAPK1 P28482 1/20 0.39
TLR8 Q9NR97 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL31607636 1.00 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1TSHRCD44
SCHEMBL3784935 1.00 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1TSHRCD44
SCHEMBL3785261 0.85 CD44 (0.48) CYP3A4TDP1ALDH1A1TSHRCD44
SCHEMBL5888553 0.84 CYP3A4 (0.64) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL31147824 0.84 ALDH1A1 (0.70) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL28326908 0.84 ALDH1A1 (0.70) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL31378249 0.81 PTGS2 (0.46) CYP3A4TDP1ALDH1A1TSHRCD44
SCHEMBL3789626 0.81 CYP3A4 (0.59) CYP3A4TDP1ALDH1A1TSHRCD44
SCHEMBL3789866 0.80 ALDH1A1 (0.64) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2
Orthotolidine SCHEMBL29167864 0.79 ALDH1A1 (0.57) CYP3A4TDP1ALDH1A1TSHRCD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP claimed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO claimed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP disclosed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO disclosed